{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5139013 0.4115881 0.2344812 ] [ -38.8534652 18.4994553 3.9624603 ] [ 3.1926647 -19.8600979 7.8788194 ] [ 9.0648773 13.5330645 -41.7576067 ] [ 26.0820219 -12.58401 29.6818457 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.233606482587272e-10 6.594368312194925e-10 3.756802966571289e-10 ] [ -6.22501135805064e-08 2.963939477919466e-08 6.348561253508154e-09 ] [ 5.115212740393446e-09 -3.181938454217918e-08 1.262326024218549e-08 ] [ 1.452353448048063e-08 2.168235954967844e-08 -6.690306119530144e-08 ] [ 4.178800571137359e-08 -2.016180661791341e-08 4.755555924273301e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.0565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.25209956702752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6926662 0.8675136 -1.1134119 ] [ 0.635692 3.0877877 3.8792499 ] [ 3.077897 -0.0586895 3.8670068 ] [ 2.1346714 1.7435762 0.4425293 ] [ 1.9494197 1.5908916 2.7295983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.926662e-11 8.675136000000001e-11 -1.1134119e-10 ] [ 6.356920000000001e-11 3.0877877e-10 3.8792499e-10 ] [ 3.077897e-10 -5.86895e-12 3.8670068e-10 ] [ 2.1346714e-10 1.7435762e-10 4.425293e-11 ] [ 1.9494197e-10 1.5908916e-10 2.7295983e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 6e-07 -0.0 ] [ 1.5e-06 -1.5e-06 -2.9e-06 ] [ -9e-07 1.3e-06 -8e-07 ] [ -2.4e-06 4e-07 -1.8e-06 ] [ 8e-07 -8e-07 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 9.6130597248e-16 0.0 ] [ 2.4032649312e-15 -2.4032649312e-15 -4.646312200320001e-15 ] [ -1.44195895872e-15 2.08282960704e-15 -1.28174129664e-15 ] [ -3.84522388992e-15 6.408706483200001e-16 -2.88391791744e-15 ] [ 1.28174129664e-15 -1.28174129664e-15 8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.575954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.694454624145624e-18 } }